Dear Amber Users,
I am using the following script to obtain the principal vectors for an atom
selection (one domain) of a protein.
trajin /media/USB_flash/PPP/CRD/2xxx.28990_29000.crd
trajin /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
vector vector_1 :10-119.CA principal out vector_1.dat
strip :WAT
I get a segmentation fault as pasted below
PTRAJ: trajin /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
Checking coordinates: /media/USB_flash/PPP/CRD/2xxx.29990_30000.crd
Rank: 0 Atoms: 118683 FrameSize: 2884022 TitleSize: 81 NumBox: 3 Seekable 1
PTRAJ: vector vector_1 :10-119.CA principal out vector_1.dat
Mask [:10-119.CA] represents 110 atoms
Segmentation fault
It would be of great help if you can please suggest me what has gone wrong.
Thanks a lot.
Sincere Regards,
Moitrayee
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Received on Fri May 27 2011 - 12:30:02 PDT
